5Y1B
 
 | | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with a berberine derivative (SYSU-00679) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-3'-quinolinium propylberberine, Beta-hexosaminidase | | 著者 | Duan, Y.W, Liu, T, Zhou, Y, Tang, J.Y, Li, M, Yang, Q. | | 登録日 | 2017-07-20 | | 公開日 | 2018-01-24 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.207 Å) | | 主引用文献 | Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine.
J. Biol. Chem., 293, 2018
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7V3R
 | | Crystal structure of CMET in complex with a novel inhibitor | | 分子名称: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | 著者 | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | | 登録日 | 2021-08-11 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
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5Y0V
 | | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with berberine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BERBERINE, ... | | 著者 | Duan, Y.W, Liu, T, Tang, J.Y, Li, M, Yang, Q. | | 登録日 | 2017-07-18 | | 公開日 | 2018-01-24 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.423 Å) | | 主引用文献 | Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine.
J. Biol. Chem., 293, 2018
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8GTW
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-26 | | 分子名称: | (2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide, 3C-like proteinase | | 著者 | Su, H.X, Nie, T.Q, Xie, H, Li, M.J, Xu, Y.C. | | 登録日 | 2022-09-08 | | 公開日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Development of novel inhibitors against SARS-CoV-2 3CLpro
To Be Published
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8GTV
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-07 | | 分子名称: | 3C-like proteinase, 4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one | | 著者 | Su, H.X, Nie, T.Q, Xie, H, Li, M.J, Xu, Y.C. | | 登録日 | 2022-09-08 | | 公開日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Development of novel inhibitors against SARS-CoV-2 3CLpro
To Be Published
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7V3S
 | | Crystal structure of CMET in complex with a novel inhibitor | | 分子名称: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | 著者 | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | | 登録日 | 2021-08-11 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
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7FCZ
 | | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | | 分子名称: | N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | 著者 | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | 登録日 | 2021-07-15 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7FD0
 | | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | | 分子名称: | N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | 著者 | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | 登録日 | 2021-07-15 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7CYI
 | | Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua | | 分子名称: | Alcohol dehydrogenase 1, ZINC ION | | 著者 | Feng, X, Fan, S, Lv, G, Li, M, Wu, G, Jin, Y, Yang, Z. | | 登録日 | 2020-09-03 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua
To Be Published
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